CID 4712

152121-53-4

Structural Information

Molecular Formula
C20H13FN4O2
SMILES
C1=CC(=CC=C1C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]
InChI
InChI=1S/C20H13FN4O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27/h1-12H,(H,23,24)
InChIKey
BGIYKDUASORTBB-UHFFFAOYSA-N
Compound name
4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

138
References

588
Patents

360.10226 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.109536 181.4
[M+Na]+ 383.091478 188.5
[M-H]- 359.094984 188.5
[M+NH4]+ 378.136083 189.1
[M+K]+ 399.065418 176.5
[M+H-H2O]+ 343.099520 173.1
[M+HCOO]- 405.100461 201.1
[M+CH3COO]- 419.116111 206.4
[M+Na-2H]- 381.076926 186.3
[M]+ 360.10171142 176.7
[M]- 360.10280858 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe